#------------------------------------------------------------------------------
#$Date: 2019-11-17 05:23:36 +0200 (Sun, 17 Nov 2019) $
#$Revision: 228108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/10/7121050.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7121050
loop_
_publ_author_name
'Marineau-Plante, Gabriel'
'Juvenal, Frank'
'Langlois, Adam'
'Fortin, Daniel'
'Soldera, Armand'
'Harvey, Pierre D.'
_publ_section_title
;
 Multiply "trapped"
 ³[trans-Pt(PR₃)₂(C[triple bond, length
 as m-dash]CC₆H₄X)₂]* conformers in rigid
 media.
;
_journal_issue                   8
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              976
_journal_page_last               979
_journal_paper_doi               10.1039/c7cc09503a
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C40 H64 P2 Pt1'
_chemical_formula_sum            'C40 H64 P2 Pt'
_chemical_formula_weight         801.94
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2017-12-05T08:52:44-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2017-12-11 deposited with the CCDC.
2017-12-22 downloaded from the CCDC.
;
_cell_angle_alpha                93.050(2)
_cell_angle_beta                 94.282(2)
_cell_angle_gamma                97.279(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2095(8)
_cell_length_b                   14.0160(12)
_cell_length_c                   15.1618(14)
_cell_measurement_reflns_used    9277
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.49
_cell_measurement_theta_min      2.51
_cell_measurement_wavelength     0.71073
_cell_volume                     1932.0(3)
_computing_cell_refinement       'SAINT V8.34A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_type       'x-axis to radiation source'
_diffrn_orient_matrix_UB_11      -0.061111
_diffrn_orient_matrix_UB_12      0.049875
_diffrn_orient_matrix_UB_13      -0.020638
_diffrn_orient_matrix_UB_21      -0.071901
_diffrn_orient_matrix_UB_22      -0.01896
_diffrn_orient_matrix_UB_23      0.044253
_diffrn_orient_matrix_UB_31      0.056213
_diffrn_orient_matrix_UB_32      0.048449
_diffrn_orient_matrix_UB_33      0.044808
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0142
_diffrn_reflns_av_unetI/netI     0.0156
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            27939
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.497
_diffrn_reflns_theta_min         1.35
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.739
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.651
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_density_diffrn    1.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.29
_refine_diff_density_max         0.778
_refine_diff_density_min         -0.729
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.264
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     390
_refine_ls_number_reflns         7967
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.3
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0221
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+4.8947P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0498
_refine_ls_wR_factor_ref         0.051
_reflns_Friedel_coverage         0
_reflns_number_gt                6988
_reflns_number_total             7967
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7cc09503a2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7121049--7121052.cif.'
_cod_database_code               7121050
_shelx_estimated_absorpt_t_min   0.354
_shelx_estimated_absorpt_t_max   0.41
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.5 0.5 0 0.01221(4) Uani 1 2 d S . P . .
Pt2 Pt 0 0 0.5 0.00976(4) Uani 1 2 d S . P . .
P1 P 0.68669(8) 0.40722(6) -0.01351(5) 0.01350(15) Uani 1 1 d . . . . .
P2 P -0.22430(8) -0.08920(5) 0.50950(5) 0.01296(15) Uani 1 1 d . . . . .
C1 C 0.6400(3) 0.2779(2) -0.0040(2) 0.0174(6) Uani 1 1 d . . . . .
H9 H 0.597828 0.267935 0.0535 0.021 Uiso 1 1 calc R U . . .
H1 H 0.562411 0.253196 -0.051328 0.021 Uiso 1 1 calc R U . . .
C2 C 0.7665(4) 0.2172(2) -0.0100(2) 0.0213(7) Uani 1 1 d . . . . .
H8 H 0.844513 0.240836 0.037379 0.026 Uiso 1 1 calc R U . . .
H7 H 0.808712 0.225809 -0.067703 0.026 Uiso 1 1 calc R U . . .
C3 C 0.7180(4) 0.1097(2) -0.0012(2) 0.0238(7) Uani 1 1 d . . . . .
H6 H 0.806218 0.075917 0.002374 0.029 Uiso 1 1 calc R U . . .
H2 H 0.67082 0.10177 0.054983 0.029 Uiso 1 1 calc R U . . .
C4 C 0.6125(4) 0.0624(3) -0.0767(2) 0.0284(8) Uani 1 1 d . . . . .
H4 H 0.519262 0.089139 -0.075739 0.043 Uiso 1 1 calc R U . . .
H5 H 0.595083 -0.007228 -0.070262 0.043 Uiso 1 1 calc R U . . .
H3 H 0.654623 0.074611 -0.133163 0.043 Uiso 1 1 calc R U . . .
C5 C 0.7651(3) 0.4194(2) -0.1204(2) 0.0170(6) Uani 1 1 d . . . . .
H10 H 0.809754 0.486863 -0.124841 0.02 Uiso 1 1 calc R U . . .
H11 H 0.843405 0.377433 -0.124794 0.02 Uiso 1 1 calc R U . . .
C6 C 0.6454(4) 0.3910(2) -0.1973(2) 0.0199(7) Uani 1 1 d . . . . .
H12 H 0.61905 0.320151 -0.20157 0.024 Uiso 1 1 calc R U . . .
H18 H 0.556431 0.420233 -0.184029 0.024 Uiso 1 1 calc R U . . .
C7 C 0.6936(4) 0.4232(2) -0.2859(2) 0.0212(7) Uani 1 1 d . . . . .
H13 H 0.781462 0.393084 -0.299816 0.025 Uiso 1 1 calc R U . . .
H17 H 0.721424 0.49395 -0.281489 0.025 Uiso 1 1 calc R U . . .
C8 C 0.5737(4) 0.3963(3) -0.3612(2) 0.0287(8) Uani 1 1 d . . . . .
H15 H 0.552948 0.326014 -0.369967 0.043 Uiso 1 1 calc R U . . .
H16 H 0.606763 0.423131 -0.415741 0.043 Uiso 1 1 calc R U . . .
H14 H 0.484375 0.422606 -0.346123 0.043 Uiso 1 1 calc R U . . .
C9 C 0.8362(3) 0.4464(2) 0.0709(2) 0.0171(6) Uani 1 1 d . . . . .
H26 H 0.919914 0.410446 0.060753 0.021 Uiso 1 1 calc R U . . .
H27 H 0.869823 0.515862 0.06683 0.021 Uiso 1 1 calc R U . . .
C10 C 0.7859(4) 0.4291(2) 0.1638(2) 0.0208(7) Uani 1 1 d . . . . .
H19 H 0.683157 0.442661 0.165029 0.025 Uiso 1 1 calc R U . . .
H20 H 0.787181 0.360225 0.174819 0.025 Uiso 1 1 calc R U . . .
C11 C 0.8790(4) 0.4899(3) 0.2387(2) 0.0242(7) Uani 1 1 d . . . . .
H25 H 0.983853 0.484105 0.232405 0.029 Uiso 1 1 calc R U . . .
H24 H 0.853703 0.464213 0.295918 0.029 Uiso 1 1 calc R U . . .
C12 C 0.8580(5) 0.5960(3) 0.2402(3) 0.0359(9) Uani 1 1 d . . . . .
H21 H 0.880061 0.62153 0.183106 0.054 Uiso 1 1 calc R U . . .
H22 H 0.92428 0.631964 0.287597 0.054 Uiso 1 1 calc R U . . .
H23 H 0.756089 0.602799 0.251018 0.054 Uiso 1 1 calc R U . . .
C13 C 0.3651(3) 0.3905(2) 0.0413(2) 0.0149(6) Uani 1 1 d . . . . .
C14 C 0.2822(3) 0.3272(2) 0.0691(2) 0.0147(6) Uani 1 1 d . . . . .
C15 C 0.1839(3) 0.2562(2) 0.1079(2) 0.0141(6) Uani 1 1 d . . . . .
C16 C 0.1040(3) 0.2835(2) 0.1779(2) 0.0165(6) Uani 1 1 d . . . . .
H32 H 0.114123 0.34939 0.198623 0.02 Uiso 1 1 calc R U . . .
C17 C 0.0105(4) 0.2166(2) 0.2174(2) 0.0194(7) Uani 1 1 d . . . . .
H31 H -0.044002 0.236919 0.264097 0.023 Uiso 1 1 calc R U . . .
C18 C -0.0040(4) 0.1199(2) 0.1891(2) 0.0205(7) Uani 1 1 d . . . . .
H30 H -0.066863 0.073722 0.216883 0.025 Uiso 1 1 calc R U . . .
C19 C 0.0739(4) 0.0912(2) 0.1200(2) 0.0213(7) Uani 1 1 d . . . . .
H29 H 0.063333 0.025153 0.099893 0.026 Uiso 1 1 calc R U . . .
C20 C 0.1672(4) 0.1581(2) 0.0799(2) 0.0179(6) Uani 1 1 d . . . . .
H28 H 0.22053 0.137269 0.032777 0.022 Uiso 1 1 calc R U . . .
C21 C -0.3476(3) -0.0314(2) 0.5780(2) 0.0160(6) Uani 1 1 d . . . . .
H34 H -0.363025 0.030829 0.553247 0.019 Uiso 1 1 calc R U . . .
H33 H -0.443918 -0.072466 0.572853 0.019 Uiso 1 1 calc R U . . .
C22 C -0.2968(3) -0.0122(2) 0.6764(2) 0.0183(7) Uani 1 1 d . . . . .
H35 H -0.381435 0.003345 0.708524 0.022 Uiso 1 1 calc R U . . .
H36 H -0.266437 -0.072114 0.699264 0.022 Uiso 1 1 calc R U . . .
C23 C -0.1705(4) 0.0690(2) 0.6976(2) 0.0199(7) Uani 1 1 d . . . . .
H37 H -0.138509 0.070681 0.761497 0.024 Uiso 1 1 calc R U . . .
H41 H -0.086665 0.05462 0.664162 0.024 Uiso 1 1 calc R U . . .
C24 C -0.2079(5) 0.1677(3) 0.6756(3) 0.0343(9) Uani 1 1 d . . . . .
H39 H -0.226232 0.169646 0.611296 0.051 Uiso 1 1 calc R U . . .
H40 H -0.125638 0.216751 0.697123 0.051 Uiso 1 1 calc R U . . .
H38 H -0.295984 0.18044 0.704299 0.051 Uiso 1 1 calc R U . . .
C25 C -0.2277(4) -0.2084(2) 0.5526(3) 0.0297(6) Uani 1 1 d . . . . .
H25A H -0.174378 -0.199318 0.612243 0.036 Uiso 1 1 calc R U . A 1
H25B H -0.33144 -0.231432 0.561315 0.036 Uiso 1 1 calc R U . A 1
C26A C -0.1726(10) -0.2833(5) 0.5075(6) 0.0297(6) Uani 0.514(5) 1 d D . P B 1
H26A H -0.072791 -0.260248 0.491051 0.036 Uiso 0.514(5) 1 calc R U P B 1
H26B H -0.235817 -0.302915 0.452166 0.036 Uiso 0.514(5) 1 calc R U P B 1
C27A C -0.1659(8) -0.3715(5) 0.5636(6) 0.0297(6) Uani 0.514(5) 1 d D . P B 1
H27A H -0.238442 -0.36155 0.607024 0.036 Uiso 0.514(5) 1 calc R U P B 1
H27B H -0.215016 -0.424695 0.522014 0.036 Uiso 0.514(5) 1 calc R U P B 1
C28A C -0.1064(8) -0.3981(5) 0.5923(5) 0.0297(6) Uani 0.514(5) 1 d D . P B 1
H28A H -0.009051 -0.382316 0.570768 0.045 Uiso 0.514(5) 1 calc R U P B 1
H28B H -0.135325 -0.468035 0.58568 0.045 Uiso 0.514(5) 1 calc R U P B 1
H28C H -0.103318 -0.376142 0.654903 0.045 Uiso 0.514(5) 1 calc R U P B 1
C26B C -0.1759(11) -0.2829(6) 0.4753(6) 0.0297(6) Uani 0.486(5) 1 d D . P B 2
H26C H -0.235394 -0.27856 0.418827 0.036 Uiso 0.486(5) 1 calc R U P B 2
H26D H -0.071704 -0.262482 0.465503 0.036 Uiso 0.486(5) 1 calc R U P B 2
C27B C -0.1939(8) -0.3896(5) 0.5015(6) 0.0297(6) Uani 0.486(5) 1 d D . P B 2
H27C H -0.236026 -0.385557 0.559624 0.036 Uiso 0.486(5) 1 calc R U P B 2
H27D H -0.275682 -0.420948 0.459567 0.036 Uiso 0.486(5) 1 calc R U P B 2
C28B C -0.1150(8) -0.4516(5) 0.5098(6) 0.0297(6) Uani 0.486(5) 1 d D . P B 2
H28D H -0.149516 -0.505651 0.466571 0.045 Uiso 0.486(5) 1 calc R U P B 2
H28E H -0.117277 -0.474002 0.569868 0.045 Uiso 0.486(5) 1 calc R U P B 2
H28F H -0.014288 -0.42535 0.499681 0.045 Uiso 0.486(5) 1 calc R U P B 2
C29 C -0.3320(3) -0.1101(2) 0.4024(2) 0.0184(7) Uani 1 1 d . . . . .
H29A H -0.405652 -0.167653 0.404552 0.022 Uiso 1 1 calc R U . . .
H29B H -0.385876 -0.054292 0.392521 0.022 Uiso 1 1 calc R U . . .
C30 C -0.2406(4) -0.1251(3) 0.3235(2) 0.0266(8) Uani 1 1 d . . . . .
H55 H -0.180927 -0.063194 0.313866 0.032 Uiso 1 1 calc R U . . .
H54 H -0.172095 -0.171939 0.33836 0.032 Uiso 1 1 calc R U . . .
C31 C -0.3310(4) -0.1609(3) 0.2386(2) 0.0360(10) Uani 1 1 d . . . . .
H53 H -0.407401 -0.118288 0.227252 0.043 Uiso 1 1 calc R U . . .
H52 H -0.381452 -0.226364 0.245741 0.043 Uiso 1 1 calc R U . . .
C32 C -0.2413(4) -0.1643(3) 0.1591(2) 0.0317(9) Uani 1 1 d . . . . .
H50 H -0.202676 -0.098546 0.146227 0.048 Uiso 1 1 calc R U . . .
H51 H -0.303605 -0.19536 0.107728 0.048 Uiso 1 1 calc R U . . .
H49 H -0.159474 -0.201155 0.172013 0.048 Uiso 1 1 calc R U . . .
C33 C 0.1160(3) -0.0945(2) 0.55858(19) 0.0132(6) Uani 1 1 d . . . . .
C34 C 0.1974(3) -0.1459(2) 0.5924(2) 0.0151(6) Uani 1 1 d . . . . .
C35 C 0.2973(3) -0.2050(2) 0.6328(2) 0.0158(6) Uani 1 1 d . . . . .
C36 C 0.3787(3) -0.1749(2) 0.7133(2) 0.0203(7) Uani 1 1 d . . . . .
H61 H 0.366243 -0.115095 0.742429 0.024 Uiso 1 1 calc R U . . .
C37 C 0.4770(4) -0.2309(3) 0.7513(2) 0.0265(8) Uani 1 1 d . . . . .
H60 H 0.531939 -0.208933 0.805672 0.032 Uiso 1 1 calc R U . . .
C38 C 0.4956(4) -0.3186(3) 0.7104(3) 0.0301(9) Uani 1 1 d . . . . .
H59 H 0.562348 -0.357277 0.736721 0.036 Uiso 1 1 calc R U . . .
C39 C 0.4158(4) -0.3496(3) 0.6305(3) 0.0283(8) Uani 1 1 d . . . . .
H58 H 0.428153 -0.409828 0.602084 0.034 Uiso 1 1 calc R U . . .
C40 C 0.3182(4) -0.2935(2) 0.5917(2) 0.0217(7) Uani 1 1 d . . . . .
H57 H 0.264931 -0.315262 0.536756 0.026 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C13 Pt1 C13 180 . 2_665
C13 Pt1 P1 92.63(9) . .
C13 Pt1 P1 87.37(9) 2_665 .
C13 Pt1 P1 87.37(9) . 2_665
C13 Pt1 P1 92.63(9) 2_665 2_665
P1 Pt1 P1 180.00(4) . 2_665
C33 Pt2 C33 180 . 2_556
C33 Pt2 P2 84.94(8) . 2_556
C33 Pt2 P2 95.06(8) 2_556 2_556
C33 Pt2 P2 95.06(8) . .
C33 Pt2 P2 84.94(8) 2_556 .
P2 Pt2 P2 180.00(3) 2_556 .
C9 P1 C1 105.93(15) . .
C9 P1 C5 106.29(14) . .
C1 P1 C5 105.55(15) . .
C9 P1 Pt1 110.30(11) . .
C1 P1 Pt1 116.60(10) . .
C5 P1 Pt1 111.51(11) . .
C25 P2 C29 104.64(17) . .
C25 P2 C21 103.07(16) . .
C29 P2 C21 102.32(14) . .
C25 P2 Pt2 117.98(13) . .
C29 P2 Pt2 112.45(11) . .
C21 P2 Pt2 114.66(10) . .
C2 C1 P1 116.1(2) . .
C2 C1 H9 108.3 . .
P1 C1 H9 108.3 . .
C2 C1 H1 108.3 . .
P1 C1 H1 108.3 . .
H9 C1 H1 107.4 . .
C1 C2 C3 112.8(3) . .
C1 C2 H8 109 . .
C3 C2 H8 109 . .
C1 C2 H7 109 . .
C3 C2 H7 109 . .
H8 C2 H7 107.8 . .
C4 C3 C2 114.0(3) . .
C4 C3 H6 108.8 . .
C2 C3 H6 108.8 . .
C4 C3 H2 108.8 . .
C2 C3 H2 108.8 . .
H6 C3 H2 107.7 . .
C3 C4 H4 109.5 . .
C3 C4 H5 109.5 . .
H4 C4 H5 109.5 . .
C3 C4 H3 109.5 . .
H4 C4 H3 109.5 . .
H5 C4 H3 109.5 . .
C6 C5 P1 110.5(2) . .
C6 C5 H10 109.5 . .
P1 C5 H10 109.5 . .
C6 C5 H11 109.5 . .
P1 C5 H11 109.5 . .
H10 C5 H11 108.1 . .
C7 C6 C5 112.9(3) . .
C7 C6 H12 109 . .
C5 C6 H12 109 . .
C7 C6 H18 109 . .
C5 C6 H18 109 . .
H12 C6 H18 107.8 . .
C6 C7 C8 112.5(3) . .
C6 C7 H13 109.1 . .
C8 C7 H13 109.1 . .
C6 C7 H17 109.1 . .
C8 C7 H17 109.1 . .
H13 C7 H17 107.8 . .
C7 C8 H15 109.5 . .
C7 C8 H16 109.5 . .
H15 C8 H16 109.5 . .
C7 C8 H14 109.5 . .
H15 C8 H14 109.5 . .
H16 C8 H14 109.5 . .
C10 C9 P1 110.6(2) . .
C10 C9 H26 109.5 . .
P1 C9 H26 109.5 . .
C10 C9 H27 109.5 . .
P1 C9 H27 109.5 . .
H26 C9 H27 108.1 . .
C11 C10 C9 114.5(3) . .
C11 C10 H19 108.6 . .
C9 C10 H19 108.6 . .
C11 C10 H20 108.6 . .
C9 C10 H20 108.6 . .
H19 C10 H20 107.6 . .
C10 C11 C12 113.2(3) . .
C10 C11 H25 108.9 . .
C12 C11 H25 108.9 . .
C10 C11 H24 108.9 . .
C12 C11 H24 108.9 . .
H25 C11 H24 107.8 . .
C11 C12 H21 109.5 . .
C11 C12 H22 109.5 . .
H21 C12 H22 109.5 . .
C11 C12 H23 109.5 . .
H21 C12 H23 109.5 . .
H22 C12 H23 109.5 . .
C14 C13 Pt1 177.1(3) . .
C13 C14 C15 175.9(3) . .
C16 C15 C20 117.6(3) . .
C16 C15 C14 120.1(3) . .
C20 C15 C14 122.3(3) . .
C17 C16 C15 121.3(3) . .
C17 C16 H32 119.4 . .
C15 C16 H32 119.4 . .
C16 C17 C18 120.2(3) . .
C16 C17 H31 119.9 . .
C18 C17 H31 119.9 . .
C19 C18 C17 119.5(3) . .
C19 C18 H30 120.3 . .
C17 C18 H30 120.3 . .
C18 C19 C20 120.5(3) . .
C18 C19 H29 119.7 . .
C20 C19 H29 119.7 . .
C19 C20 C15 120.8(3) . .
C19 C20 H28 119.6 . .
C15 C20 H28 119.6 . .
C22 C21 P2 116.3(2) . .
C22 C21 H34 108.2 . .
P2 C21 H34 108.2 . .
C22 C21 H33 108.2 . .
P2 C21 H33 108.2 . .
H34 C21 H33 107.4 . .
C23 C22 C21 115.0(3) . .
C23 C22 H35 108.5 . .
C21 C22 H35 108.5 . .
C23 C22 H36 108.5 . .
C21 C22 H36 108.5 . .
H35 C22 H36 107.5 . .
C24 C23 C22 114.2(3) . .
C24 C23 H37 108.7 . .
C22 C23 H37 108.7 . .
C24 C23 H41 108.7 . .
C22 C23 H41 108.7 . .
H37 C23 H41 107.6 . .
C23 C24 H39 109.5 . .
C23 C24 H40 109.5 . .
H39 C24 H40 109.5 . .
C23 C24 H38 109.5 . .
H39 C24 H38 109.5 . .
H40 C24 H38 109.5 . .
C26A C25 P2 122.0(4) . .
C26B C25 P2 108.5(4) . .
C26A C25 H25A 106.8 . .
P2 C25 H25A 106.8 . .
C26A C25 H25B 106.8 . .
P2 C25 H25B 106.8 . .
H25A C25 H25B 106.7 . .
C25 C26A C27A 112.2(6) . .
C25 C26A H26A 109.2 . .
C27A C26A H26A 109.2 . .
C25 C26A H26B 109.2 . .
C27A C26A H26B 109.2 . .
H26A C26A H26B 107.9 . .
C28A C27A C26A 140.2(10) . .
C28A C27A H27A 102 . .
C26A C27A H27A 102 . .
C28A C27A H27B 102 . .
C26A C27A H27B 102 . .
H27A C27A H27B 104.8 . .
C27A C28A H28A 109.5 . .
C27A C28A H28B 109.5 . .
H28A C28A H28B 109.5 . .
C27A C28A H28C 109.5 . .
H28A C28A H28C 109.5 . .
H28B C28A H28C 109.5 . .
C27B C26B C25 112.2(6) . .
C27B C26B H26C 109.2 . .
C25 C26B H26C 109.2 . .
C27B C26B H26D 109.2 . .
C25 C26B H26D 109.2 . .
H26C C26B H26D 107.9 . .
C28B C27B C26B 136.1(8) . .
C28B C27B H27C 103.1 . .
C26B C27B H27C 103.1 . .
C28B C27B H27D 103.1 . .
C26B C27B H27D 103.1 . .
H27C C27B H27D 105.1 . .
C27B C28B H28D 109.5 . .
C27B C28B H28E 109.5 . .
H28D C28B H28E 109.5 . .
C27B C28B H28F 109.5 . .
H28D C28B H28F 109.5 . .
H28E C28B H28F 109.5 . .
C30 C29 P2 114.3(2) . .
C30 C29 H29A 108.7 . .
P2 C29 H29A 108.7 . .
C30 C29 H29B 108.7 . .
P2 C29 H29B 108.7 . .
H29A C29 H29B 107.6 . .
C31 C30 C29 113.9(3) . .
C31 C30 H55 108.8 . .
C29 C30 H55 108.8 . .
C31 C30 H54 108.8 . .
C29 C30 H54 108.8 . .
H55 C30 H54 107.7 . .
C30 C31 C32 113.4(3) . .
C30 C31 H53 108.9 . .
C32 C31 H53 108.9 . .
C30 C31 H52 108.9 . .
C32 C31 H52 108.9 . .
H53 C31 H52 107.7 . .
C31 C32 H50 109.5 . .
C31 C32 H51 109.5 . .
H50 C32 H51 109.5 . .
C31 C32 H49 109.5 . .
H50 C32 H49 109.5 . .
H51 C32 H49 109.5 . .
C34 C33 Pt2 174.0(3) . .
C33 C34 C35 178.5(3) . .
C36 C35 C40 118.0(3) . .
C36 C35 C34 121.1(3) . .
C40 C35 C34 120.9(3) . .
C37 C36 C35 121.0(3) . .
C37 C36 H61 119.5 . .
C35 C36 H61 119.5 . .
C38 C37 C36 120.3(3) . .
C38 C37 H60 119.8 . .
C36 C37 H60 119.8 . .
C37 C38 C39 119.4(3) . .
C37 C38 H59 120.3 . .
C39 C38 H59 120.3 . .
C40 C39 C38 120.5(3) . .
C40 C39 H58 119.8 . .
C38 C39 H58 119.8 . .
C39 C40 C35 120.7(3) . .
C39 C40 H57 119.7 . .
C35 C40 H57 119.7 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C13 2.007(3) .
Pt1 C13 2.007(3) 2_665
Pt1 P1 2.2978(8) .
Pt1 P1 2.2978(8) 2_665
Pt2 C33 2.006(3) .
Pt2 C33 2.006(3) 2_556
Pt2 P2 2.2935(8) 2_556
Pt2 P2 2.2935(8) .
P1 C9 1.819(3) .
P1 C1 1.825(3) .
P1 C5 1.831(3) .
P2 C25 1.823(4) .
P2 C29 1.828(3) .
P2 C21 1.828(3) .
C1 C2 1.532(4) .
C1 H9 0.99 .
C1 H1 0.99 .
C2 C3 1.533(4) .
C2 H8 0.99 .
C2 H7 0.99 .
C3 C4 1.512(5) .
C3 H6 0.99 .
C3 H2 0.99 .
C4 H4 0.98 .
C4 H5 0.98 .
C4 H3 0.98 .
C5 C6 1.542(4) .
C5 H10 0.99 .
C5 H11 0.99 .
C6 C7 1.520(5) .
C6 H12 0.99 .
C6 H18 0.99 .
C7 C8 1.523(5) .
C7 H13 0.99 .
C7 H17 0.99 .
C8 H15 0.98 .
C8 H16 0.98 .
C8 H14 0.98 .
C9 C10 1.537(4) .
C9 H26 0.99 .
C9 H27 0.99 .
C10 C11 1.521(4) .
C10 H19 0.99 .
C10 H20 0.99 .
C11 C12 1.523(5) .
C11 H25 0.99 .
C11 H24 0.99 .
C12 H21 0.98 .
C12 H22 0.98 .
C12 H23 0.98 .
C13 C14 1.210(4) .
C14 C15 1.439(4) .
C15 C16 1.399(4) .
C15 C20 1.403(4) .
C16 C17 1.383(4) .
C16 H32 0.95 .
C17 C18 1.387(5) .
C17 H31 0.95 .
C18 C19 1.383(5) .
C18 H30 0.95 .
C19 C20 1.387(4) .
C19 H29 0.95 .
C20 H28 0.95 .
C21 C22 1.529(4) .
C21 H34 0.99 .
C21 H33 0.99 .
C22 C23 1.524(4) .
C22 H35 0.99 .
C22 H36 0.99 .
C23 C24 1.514(5) .
C23 H37 0.99 .
C23 H41 0.99 .
C24 H39 0.98 .
C24 H40 0.98 .
C24 H38 0.98 .
C25 C26A 1.393(9) .
C25 C26B 1.666(10) .
C25 H25A 0.99 .
C25 H25B 0.99 .
C26A C27A 1.541(9) .
C26A H26A 0.99 .
C26A H26B 0.99 .
C27A C28A 0.814(8) .
C27A H27A 0.99 .
C27A H27B 0.99 .
C28A H28A 0.98 .
C28A H28B 0.98 .
C28A H28C 0.98 .
C26B C27B 1.559(9) .
C26B H26C 0.99 .
C26B H26D 0.99 .
C27B C28B 1.207(9) .
C27B H27C 0.99 .
C27B H27D 0.99 .
C28B H28D 0.98 .
C28B H28E 0.98 .
C28B H28F 0.98 .
C29 C30 1.534(5) .
C29 H29A 0.99 .
C29 H29B 0.99 .
C30 C31 1.506(5) .
C30 H55 0.99 .
C30 H54 0.99 .
C31 C32 1.512(5) .
C31 H53 0.99 .
C31 H52 0.99 .
C32 H50 0.98 .
C32 H51 0.98 .
C32 H49 0.98 .
C33 C34 1.210(4) .
C34 C35 1.438(4) .
C35 C36 1.400(4) .
C35 C40 1.399(5) .
C36 C37 1.384(5) .
C36 H61 0.95 .
C37 C38 1.384(6) .
C37 H60 0.95 .
C38 C39 1.388(6) .
C38 H59 0.95 .
C39 C40 1.387(5) .
C39 H58 0.95 .
C40 H57 0.95 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
C9 P1 C1 C2 -54.9(3)
C5 P1 C1 C2 57.5(3)
Pt1 P1 C1 C2 -178.1(2)
P1 C1 C2 C3 179.9(2)
C1 C2 C3 C4 65.9(4)
C9 P1 C5 C6 -178.1(2)
C1 P1 C5 C6 69.7(3)
Pt1 P1 C5 C6 -57.8(2)
P1 C5 C6 C7 165.4(2)
C5 C6 C7 C8 -179.0(3)
C1 P1 C9 C10 -62.1(3)
C5 P1 C9 C10 -174.1(2)
Pt1 P1 C9 C10 64.9(2)
P1 C9 C10 C11 -159.0(2)
C9 C10 C11 C12 71.3(4)
C20 C15 C16 C17 -0.7(5)
C14 C15 C16 C17 -178.9(3)
C15 C16 C17 C18 1.1(5)
C16 C17 C18 C19 -1.1(5)
C17 C18 C19 C20 0.8(5)
C18 C19 C20 C15 -0.5(5)
C16 C15 C20 C19 0.4(5)
C14 C15 C20 C19 178.6(3)
C25 P2 C21 C22 65.9(3)
C29 P2 C21 C22 174.3(2)
Pt2 P2 C21 C22 -63.6(3)
P2 C21 C22 C23 72.4(3)
C21 C22 C23 C24 64.9(4)
C29 P2 C25 C26A 59.7(5)
C21 P2 C25 C26A 166.4(5)
Pt2 P2 C25 C26A -66.1(5)
C29 P2 C25 C26B 51.7(4)
C21 P2 C25 C26B 158.4(4)
Pt2 P2 C25 C26B -74.2(4)
P2 C25 C26A C27A 171.2(5)
C25 C26A C27A C28A -104.1(17)
P2 C25 C26B C27B -172.9(5)
C25 C26B C27B C28B -123.9(12)
C25 P2 C29 C30 -93.1(3)
C21 P2 C29 C30 159.7(3)
Pt2 P2 C29 C30 36.2(3)
P2 C29 C30 C31 168.9(3)
C29 C30 C31 C32 173.3(3)
C40 C35 C36 C37 0.1(5)
C34 C35 C36 C37 -178.7(3)
C35 C36 C37 C38 -0.6(5)
C36 C37 C38 C39 0.6(5)
C37 C38 C39 C40 0.0(5)
C38 C39 C40 C35 -0.6(5)
C36 C35 C40 C39 0.5(5)
C34 C35 C40 C39 179.3(3)
